VirtualTaste

Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00301521	N(=C=S)C	B	0.967999995
SN00301609	c12c(c(c(cc2)O)OC)occ(c1=O)c1ccc(cc1)OC	B	0.953999996
SN00301637	[C@@H]12[C@@H]3[C@@H](C(=C)C(=O)O3)[C@@H](CC(=C)[C@@H]1CC(=O)[C@H]2C)O	B	0.963999987
SN00301679	O=C(CCCC/C=C/CCCCCC)C	B	0.958000004
SN00301684	C(=C\CCCC=O)\CCCCCCCC	B	0.952000022
SN00301754	C([C@H](C)C)[C@H](CCCCCCCC)C	B	0.981999993
SN00301778	n1c(cccc1C)C	B	0.952000022
SN00301805	c12c(c(c(c(c1OC)OC)OC)OC)oc(c(c2=O)OC)c1c(cc(c(c1)OC)OC)OC	B	0.95599997
SN00301828	[C@H](/C=C\C=C(/C)C)(CC)C	B	0.958000004
SN00302122	C(=O)(C[C@H](O)CCCCC)OCC	B	0.95599997
SN00302176	C(=C(\CC/C=C(\C)C)C)/CC/C(=C/C=O)C	B	0.967999995
SN00302353	C(=O)(Cl)CC	B	0.953999996
SN00302359	[C@@]12(C(=C(CCC2)C)[C@H]2[C@H](CC1)C(=C)C(=O)O2)C	B	0.95599997
SN00302383	C(=O)(OCCCCCCCCCC/C=C\CCCCC)C	B	0.976000011
SN00302396	N#CCCCCCCCC	B	0.970000029
SN00302411	n1(cccc1)[C@@H](C)C	B	0.977999985
SN00302464	[C@@H]12[C@@]3([C@@H](C3)C[C@]1(CC[C@@H]1[C@H]2OC(=O)[C@H]1C)C)C	B	0.952000022
SN00302566	[C@@]([C@H]1CCC(=CCCC(=CCCC(=CC1)C)C)C)(OC(=O)C)(C)C	B	0.952000022
SN00302573	C(=C\[C@H](CC)C)(/C(=O)C)C	B	0.962000012
SN00302674	O([C@@H](CC/C=C(\C)C)C)C(=O)C	B	0.977999985
SN00302788	c12c(c(=O)c3c(o2)cc(cc3OC)O)cc(c(c1OC)O)OC	B	0.952000022
SN00302809	[C@]([C@H](OC)OC)(Cl)(Cl)Cl	B	0.980000019
SN00302901	C12=C(C(=O)C=C[C@@]1(CC[C@H]([C@H]2O)[C@@H](C)C)C)C	B	0.958000004
SN00302922	[C@]12([C@@H](O1)[C@@H]1[C@H](C(=C)C(=O)O1)CCC(=CCC2)C)C	B	0.973999977
SN00303027	[As@+](C)(C)(C)C	B	0.991999984

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